(2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine

C11H10IN — CID 118507154

IUPAC(2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C/I)c1ccccc1
InChIInChI=1S/C11H10IN/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-9,13H/b8-4-,11-7+,13-9+
InChIKeyPNJMMSFNROOOET-PYMKHPLCSA-N
MW283.11 g/mol
LogP3.67
Rot. Bonds3

About (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine

(2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine (PubChem CID 118507154) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine
PubChem CID118507154
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name(2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C/I)c1ccccc1
InChIInChI=1S/C11H10IN/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-9,13H/b8-4-,11-7+,13-9+
InChIKeyPNJMMSFNROOOET-PYMKHPLCSA-N
XLogP3.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine (CID 118507154) is (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine is [H]/N=C/C(=C\C=C/I)c1ccccc1.
What is the InChIKey of (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine?
The InChIKey is PNJMMSFNROOOET-PYMKHPLCSA-N. The full InChI is InChI=1S/C11H10IN/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-9,13H/b8-4-,11-7+,13-9+.
What are the key properties of (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine?
(2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine has a molecular weight of 283.11 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine is sourced from PubChem (CID 118507154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).